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Theoretical Insights into Synergistic Effects at Cu/TiC Interfaces for Promoting CO(2) Activation

[Image: see text] The adsorption behaviors of CO(2) at the Cu(n)/TiC(001) interfaces (n = 1–8) have been investigated using the density functional theory method. Our results reveal that the introduction of copper clusters on a TiC surface can significantly improve the thermodynamic stability of CO(2...

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Detalles Bibliográficos
Autores principales:	Li, Yanli, Fang, Zhongpu, Zhou, Hegen, Li, Yi, Wang, Bin, Huang, Shuping, Lin, Wei, Chen, Wen-Kai, Zhang, Yongfan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8529663/ https://www.ncbi.nlm.nih.gov/pubmed/34693146 http://dx.doi.org/10.1021/acsomega.1c04040

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